SCHEMBL2116276

SCHEMBL2116276

N#Cc1ccc2cc([N+](=O)[O-])cc(-c3cccc4ccccc34)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.43
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 1/20 0.42
PIM1 P11309 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SOS2 Q07890 1/20 0.39
MYB P10242 1/20 0.39
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
NFKB1 P19838 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
CASP6 P55212 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX5 P09917 2/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2116650 0.81 TDP1 (0.44) KDM4EMAPTTDP1TSHRPIM1
SCHEMBL13689527 0.81 TDP1 (0.44) KDM4EMAPTTDP1TSHRPIM1
SCHEMBL2117674 0.79 SOS2 (0.43) KDM4EMAPTTSHRPIM1MEN1
SCHEMBL2118311 0.79 PIM1 (0.46) KDM4EMAPTTSHRPIM1MEN1
SCHEMBL2115464 0.79 SOS2 (0.43) KDM4ETSHRPIM1MEN1KMT2A
SCHEMBL2143559 0.78 MAPT (0.43) KDM4EMAPTTDP1TSHRMEN1
SCHEMBL7571256 0.75 VCAM1 (0.47) KDM4EMAPTTDP1TSHRMEN1
SCHEMBL2116777 0.74 ALOX15 (0.49) MAPTMEN1KMT2ASOS2NPC1
SCHEMBL2118203 0.73 MEN1 (0.42) KDM4EMAPTTDP1TSHRMEN1
SCHEMBL2118208 0.73 MEN1 (0.42) KDM4EMAPTTDP1TSHRMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2012-04-19 US disclosed
EP-2250152-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE Novartis AG (CH) 2010-11-17 EP disclosed
WO-2009106586-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2009-09-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE FDPS, GGPS1, CTPS1 CTSB 3884/4885KDM4E 2805/4885MAPT 4083/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.